bulk:  Cu fcc 3.62
subst:  Al 3.353
v1: 5929.741
n1: 500
v1pa: 11.859482
ene0: -1770.0
ene0pa: -3.54
subst n: 13
ene1nm: -1768.5132
ene1nmf: 1.2998
ene2m: -1769.0595
ene2mf: 0.7535
ene3v: -1769.0662
ene3vf: 0.7468
esubf: 0.7468
V4: 5939.34290366
vintf:  21.4613856576
vintfr:  1.80963938034
